4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine

C12H8ClF3N2S — CID 106768687

IUPAC4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCc1cccc(Sc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H8ClF3N2S/c1-7-3-2-4-8(5-7)19-10-6-9(13)17-11(18-10)12(14,15)16/h2-6H,1H3
InChIKeyUQCZNZSPYQVMLR-UHFFFAOYSA-N
MW304.72 g/mol
LogP4.61
Rot. Bonds2

About 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine

4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine (PubChem CID 106768687) has the molecular formula C12H8ClF3N2S and a molecular weight of 304.72 g/mol. Its IUPAC name is 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
PubChem CID106768687
Molecular FormulaC12H8ClF3N2S
Molecular Weight304.72 g/mol
Exact Mass304.00
IUPAC Name4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCc1cccc(Sc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H8ClF3N2S/c1-7-3-2-4-8(5-7)19-10-6-9(13)17-11(18-10)12(14,15)16/h2-6H,1H3
InChIKeyUQCZNZSPYQVMLR-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768610
4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768685
2-tert-butyl-4-chloro-6-(4-methylphenyl)sulfanylpyrimidine
CID 80951331
4-chloro-6-(4-nitrophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768660
[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721407
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775008
4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 107780733
6-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774896
5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 106768733
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine (CID 106768687) is 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine is Cc1cccc(Sc2cc(Cl)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is UQCZNZSPYQVMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2S/c1-7-3-2-4-8(5-7)19-10-6-9(13)17-11(18-10)12(14,15)16/h2-6H,1H3.
What are the key properties of 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 304.72 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).